# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Cu2MgZr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.329990005e+02 2.329990005e+02 1.30 2.154179666e+02 2.154179666e+02 1.32 1.991664016e+02 1.991664016e+02 1.34 1.841376984e+02 1.841376984e+02 1.36 1.702349378e+02 1.702349378e+02 1.38 1.573699948e+02 1.573699948e+02 1.40 1.454624787e+02 1.454624787e+02 1.42 1.344384419e+02 1.344384419e+02 1.44 1.242292168e+02 1.242292168e+02 1.46 1.147708977e+02 1.147708977e+02 1.48 1.060043671e+02 1.060043671e+02 1.50 9.787525522e+01 9.787525522e+01 1.52 9.033370233e+01 9.033370233e+01 1.54 8.333400437e+01 8.333400437e+01 1.56 7.683435432e+01 7.683435432e+01 1.58 7.079679468e+01 7.079679468e+01 1.60 6.518722250e+01 6.518722250e+01 1.62 5.997519627e+01 5.997519627e+01 1.64 5.513345730e+01 5.513345730e+01 1.66 5.063728137e+01 5.063728137e+01 1.68 4.646389995e+01 4.646389995e+01 1.70 4.259258196e+01 4.259258196e+01 1.72 3.900339013e+01 3.900339013e+01 1.74 3.567717440e+01 3.567717440e+01 1.76 3.259548188e+01 3.259548188e+01 1.78 2.974058308e+01 2.974058308e+01 1.80 2.709583064e+01 2.709583064e+01 1.82 2.464553943e+01 2.464553943e+01 1.84 2.237493295e+01 2.237493295e+01 1.86 2.027021430e+01 2.027021430e+01 1.88 1.831866763e+01 1.831866763e+01 1.90 1.650875700e+01 1.650875700e+01 1.92 1.483012106e+01 1.483012106e+01 1.94 1.327347014e+01 1.327347014e+01 1.96 1.183040993e+01 1.183040993e+01 1.98 1.049331296e+01 1.049331296e+01 2.00 9.255216869e+00 9.255216869e+00 2.02 8.109719300e+00 8.109719300e+00 2.04 7.050867066e+00 7.050867066e+00 2.06 6.073049738e+00 6.073049738e+00 2.08 5.170909503e+00 5.170909503e+00 2.10 4.339300996e+00 4.339300996e+00 2.12 3.573296757e+00 3.573296757e+00 2.14 2.868221692e+00 2.868221692e+00 2.16 2.219703961e+00 2.219703961e+00 2.18 1.623688856e+00 1.623688856e+00 2.20 1.076421573e+00 1.076421573e+00 2.22 5.743909703e-01 5.743909703e-01 2.24 1.142849948e-01 1.142849948e-01 2.26 -3.070293552e-01 -3.070293552e-01 2.28 -6.925198354e-01 -6.925198354e-01 2.30 -1.044958517e+00 -1.044958517e+00 2.32 -1.366944960e+00 -1.366944960e+00 2.34 -1.660869809e+00 -1.660869809e+00 2.36 -1.928923899e+00 -1.928923899e+00 2.38 -2.173090554e+00 -2.173090554e+00 2.40 -2.395221610e+00 -2.395221610e+00 2.42 -2.596881217e+00 -2.596881217e+00 2.44 -2.779464541e+00 -2.779464541e+00 2.46 -2.944297777e+00 -2.944297777e+00 2.48 -3.092649908e+00 -3.092649908e+00 2.50 -3.225729886e+00 -3.225729886e+00 2.52 -3.344673975e+00 -3.344673975e+00 2.54 -3.450506023e+00 -3.450506023e+00 2.56 -3.544017884e+00 -3.544017884e+00 2.58 -3.625900183e+00 -3.625900183e+00 2.60 -3.696807003e+00 -3.696807003e+00 2.62 -3.757365186e+00 -3.757365186e+00 2.64 -3.808200822e+00 -3.808200822e+00 2.66 -3.849938723e+00 -3.849938723e+00 2.68 -3.883223781e+00 -3.883223781e+00 2.70 -3.908718590e+00 -3.908718590e+00 2.72 -3.927094700e+00 -3.927094700e+00 2.74 -3.939015585e+00 -3.939015585e+00 2.76 -3.945114976e+00 -3.945114976e+00 2.78 -3.945973520e+00 -3.945973520e+00 2.80 -3.942113980e+00 -3.942113980e+00 2.82 -3.934112448e+00 -3.934112448e+00 2.84 -3.922601320e+00 -3.922601320e+00 2.86 -3.907602403e+00 -3.907602403e+00 2.88 -3.889130297e+00 -3.889130297e+00 2.90 -3.867235897e+00 -3.867235897e+00 2.92 -3.842006128e+00 -3.842006128e+00 2.94 -3.813561654e+00 -3.813561654e+00 2.96 -3.782052523e+00 -3.782052523e+00 2.98 -3.747652251e+00 -3.747652251e+00 3.00 -3.710551764e+00 -3.710551764e+00 3.02 -3.670972885e+00 -3.670972885e+00 3.04 -3.629154086e+00 -3.629154086e+00 3.06 -3.585331983e+00 -3.585331983e+00 3.08 -3.539721788e+00 -3.539721788e+00 3.10 -3.492525658e+00 -3.492525658e+00 3.12 -3.443925902e+00 -3.443925902e+00 3.14 -3.394093849e+00 -3.394093849e+00 3.16 -3.343174040e+00 -3.343174040e+00 3.18 -3.291295762e+00 -3.291295762e+00 3.20 -3.238571506e+00 -3.238571506e+00 3.22 -3.185099859e+00 -3.185099859e+00 3.24 -3.130969914e+00 -3.130969914e+00 3.26 -3.076266698e+00 -3.076266698e+00 3.28 -3.021076467e+00 -3.021076467e+00 3.30 -2.965490392e+00 -2.965490392e+00 3.32 -2.909605507e+00 -2.909605507e+00 3.34 -2.853522716e+00 -2.853522716e+00 3.36 -2.797342708e+00 -2.797342708e+00 3.38 -2.741162483e+00 -2.741162483e+00 3.40 -2.685084004e+00 -2.685084004e+00 3.42 -2.629179501e+00 -2.629179501e+00 3.44 -2.573501581e+00 -2.573501581e+00 3.46 -2.518098797e+00 -2.518098797e+00 3.48 -2.463015390e+00 -2.463015390e+00 3.50 -2.408292306e+00 -2.408292306e+00 3.52 -2.353967659e+00 -2.353967659e+00 3.54 -2.300076640e+00 -2.300076640e+00 3.56 -2.246650760e+00 -2.246650760e+00 3.58 -2.193706721e+00 -2.193706721e+00 3.60 -2.141242962e+00 -2.141242962e+00 3.62 -2.089257535e+00 -2.089257535e+00 3.64 -2.037749227e+00 -2.037749227e+00 3.66 -1.986717946e+00 -1.986717946e+00 3.68 -1.936165751e+00 -1.936165751e+00 3.70 -1.886098467e+00 -1.886098467e+00 3.72 -1.836527765e+00 -1.836527765e+00 3.74 -1.787473495e+00 -1.787473495e+00 3.76 -1.738965956e+00 -1.738965956e+00 3.78 -1.691047704e+00 -1.691047704e+00 3.80 -1.643774435e+00 -1.643774435e+00 3.82 -1.597214478e+00 -1.597214478e+00 3.84 -1.551446578e+00 -1.551446578e+00 3.86 -1.506555865e+00 -1.506555865e+00 3.88 -1.462628283e+00 -1.462628283e+00 3.90 -1.419744108e+00 -1.419744108e+00 3.92 -1.377970235e+00 -1.377970235e+00 3.94 -1.337359821e+00 -1.337359821e+00 3.96 -1.297940520e+00 -1.297940520e+00 3.98 -1.259718775e+00 -1.259718775e+00 4.00 -1.222679149e+00 -1.222679149e+00 4.02 -1.186787004e+00 -1.186787004e+00 4.04 -1.151992349e+00 -1.151992349e+00 4.06 -1.118234152e+00 -1.118234152e+00 4.08 -1.085444541e+00 -1.085444541e+00 4.10 -1.053548389e+00 -1.053548389e+00 4.12 -1.022483449e+00 -1.022483449e+00 4.14 -9.921755705e-01 -9.921755705e-01 4.16 -9.625594226e-01 -9.625594226e-01 4.18 -9.335746117e-01 -9.335746117e-01 4.20 -9.051665733e-01 -9.051665733e-01 4.22 -8.772873064e-01 -8.772873064e-01 4.24 -8.498960605e-01 -8.498960605e-01 4.26 -8.229600424e-01 -8.229600424e-01 4.28 -7.964551546e-01 -7.964551546e-01 4.30 -7.703667271e-01 -7.703667271e-01 4.32 -7.446901544e-01 -7.446901544e-01 4.34 -7.194313106e-01 -7.194313106e-01 4.36 -6.946065897e-01 -6.946065897e-01 4.38 -6.702424245e-01 -6.702424245e-01 4.40 -6.463741667e-01 -6.463741667e-01 4.42 -6.230442819e-01 -6.230442819e-01 4.44 -6.002999037e-01 -6.002999037e-01 4.46 -5.781898983e-01 -5.781898983e-01 4.48 -5.567616824e-01 -5.567616824e-01 4.50 -5.360580998e-01 -5.360580998e-01 4.52 -5.161146703e-01 -5.161146703e-01 4.54 -4.969574766e-01 -4.969574766e-01 4.56 -4.786018663e-01 -4.786018663e-01 4.58 -4.610520261e-01 -4.610520261e-01 4.60 -4.443013725e-01 -4.443013725e-01 4.62 -4.283336107e-01 -4.283336107e-01 4.64 -4.131242615e-01 -4.131242615e-01 4.66 -3.986424383e-01 -3.986424383e-01 4.68 -3.848526808e-01 -3.848526808e-01 4.70 -3.717166868e-01 -3.717166868e-01 4.72 -3.591948382e-01 -3.591948382e-01 4.74 -3.472474619e-01 -3.472474619e-01 4.76 -3.358358082e-01 -3.358358082e-01 4.78 -3.249227593e-01 -3.249227593e-01 4.80 -3.144699436e-01 -3.144699436e-01 4.82 -3.044519933e-01 -3.044519933e-01 4.84 -2.948347140e-01 -2.948347140e-01 4.86 -2.855904257e-01 -2.855904257e-01 4.88 -2.766938245e-01 -2.766938245e-01 4.90 -2.681218355e-01 -2.681218355e-01 4.92 -2.598534338e-01 -2.598534338e-01 4.94 -2.518694098e-01 -2.518694098e-01 4.96 -2.441522331e-01 -2.441522331e-01 4.98 -2.366858799e-01 -2.366858799e-01 5.00 -2.294556029e-01 -2.294556029e-01 5.02 -2.224477680e-01 -2.224477680e-01 5.04 -2.156497086e-01 -2.156497086e-01 5.06 -2.090495974e-01 -2.090495974e-01 5.08 -2.026363387e-01 -2.026363387e-01 5.10 -1.963994793e-01 -1.963994793e-01 5.12 -1.903291422e-01 -1.903291422e-01 5.14 -1.844159792e-01 -1.844159792e-01 5.16 -1.786511478e-01 -1.786511478e-01 5.18 -1.730263094e-01 -1.730263094e-01 5.20 -1.675336513e-01 -1.675336513e-01 5.22 -1.621659316e-01 -1.621659316e-01 5.24 -1.569165470e-01 -1.569165470e-01 5.26 -1.517796203e-01 -1.517796203e-01 5.28 -1.467501048e-01 -1.467501048e-01 5.30 -1.418238984e-01 -1.418238984e-01 5.32 -1.369979585e-01 -1.369979585e-01 5.34 -1.322704066e-01 -1.322704066e-01 5.36 -1.276406068e-01 -1.276406068e-01 5.38 -1.231092044e-01 -1.231092044e-01 5.40 -1.186781073e-01 -1.186781073e-01 5.42 -1.143503978e-01 -1.143503978e-01 5.44 -1.101301670e-01 -1.101301670e-01 5.46 -1.060222741e-01 -1.060222741e-01 5.48 -1.020320283e-01 -1.020320283e-01 5.50 -9.816482560e-02 -9.816482560e-02 5.52 -9.442576803e-02 -9.442576803e-02 5.54 -9.081928781e-02 -9.081928781e-02 5.56 -8.734881420e-02 -8.734881420e-02 5.58 -8.401651090e-02 -8.401651090e-02 5.60 -8.082266036e-02 -8.082266036e-02 5.62 -7.776624542e-02 -7.776624542e-02 5.64 -7.484543379e-02 -7.484543379e-02 5.66 -7.205686463e-02 -7.205686463e-02 5.68 -6.939584998e-02 -6.939584998e-02 5.70 -6.685661983e-02 -6.685661983e-02 5.72 -6.443258216e-02 -6.443258216e-02 5.74 -6.211657659e-02 -6.211657659e-02 5.76 -5.990110585e-02 -5.990110585e-02 5.78 -5.777853535e-02 -5.777853535e-02 5.80 -5.574125638e-02 -5.574125638e-02 5.82 -5.378181274e-02 -5.378181274e-02 5.84 -5.189299366e-02 -5.189299366e-02 5.86 -5.006789788e-02 -5.006789788e-02 5.88 -4.829997446e-02 -4.829997446e-02 5.90 -4.658304629e-02 -4.658304629e-02 5.92 -4.491132195e-02 -4.491132195e-02 5.94 -4.327940099e-02 -4.327940099e-02 5.96 -4.168227688e-02 -4.168227688e-02 5.98 -4.011534135e-02 -4.011534135e-02 6.00 -3.857439283e-02 -3.857439283e-02